Geometry & MOs

Info

ID:	346696
PubChem CID:	127271200
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	398.162187
ΔH_f, kcal/mol:	-66.1
Dipole, Da:	7.1
IP(EA), eV:	-9.31(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCCC(C2)C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations